2-[4-[5-(4-chlorophenyl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[5-(4-chlorophenyl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[5-(4-chlorophenyl)-2-thiophenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-15-3-1-14(2-4-15)17-7-8-18(27-17)20(26)24-11-9-23(10-12-24)13-19(25)22-16-5-6-16/h1-4,7-8,16H,5-6,9-13H2,(H,22,25)/p+1